In this work we present a theoretical approach for the determination of octanol/water partition coefficient of selected ferrocenes bearing different substituents, the calculation is based on the adaptation of the Rekker method. Our prediction of obtained theoretical partition coefficients values of logP for all studied substituted ferrocene was confirmed by comparison with known experimental values obtained mainly from literature. The results obtained show that calculated partition coefficients are in good agreement with experimental values. For estimation of the octanol/water partition coefficients of the selected compounds, the average absolute error of log P is 0.13, and The correlation coefficient is R 2 = 0.966.

An electrochemical method based on square wave voltammetry was developed for the measurement of octanol-water partition coefficient, LogP, for ten ferrocene derivatives.

Octanol/water partition coefficients P of several substituted ferrocene were calculated basis of the adaptation of the existing XlogPv2.0 approach.partition coefficients values of logP for known experimental values taken calculated partition coefficients were in good absolute error is 0.12, and dependencies between experimental and calculated partitions coefficients is